Pinned Repositories
DFTD
DIALECT-rs
DIALECT program package
manual
User guide
rest_libcint
rust-condest
Matrix condition number estimation in Rust
rust-expm
Matrix exponentials in Rust
sphrs
Spherical harmonics and solid harmonics in Rust
echem
eChem: Jupyter book on theoretical chemistry
Data_for_FMO-LC-TDDFTB
Data files for the paper "Long-range corrected fragment molecular orbital density functional tight-binding method for excited states in large molecular systems"
tincr
einseler's Repositories
einseler/rest_libcint
einseler/rust-condest
Matrix condition number estimation in Rust
einseler/rust-expm
Matrix exponentials in Rust
einseler/sphrs
Spherical harmonics and solid harmonics in Rust